7-Methylchroman-2-one

Base Information

• Chemical Name: 7-Methylchroman-2-one
• CAS No.: 20921-01-1
• Molecular Formula: C10H10O2
• Molecular Weight: 162.188
• Hs Code.: 2932209090
• NSC Number: 19514
• DSSTox Substance ID: DTXSID30280974
• Nikkaji Number: J2.803.191B
• Wikidata: Q82014687
• Mol file: 20921-01-1.mol

Synonyms:7-METHYLCHROMAN-2-ONE;20921-01-1;7-Methyl-3,4-dihydro-2H-1-benzopyran-2-one;NSC19514;7-methyl-chroman-2-one;SCHEMBL5799941;DTXSID30280974;NSC 19514;NSC-19514

Chemical Property of 7-Methylchroman-2-one

Chemical Property:

• Vapor Pressure: 0.00199mmHg at 25°C
• Boiling Point: 291.1°Cat760mmHg
• Flash Point: 117.8°C
• PSA: 26.30000
• Density: 1.157g/cm³
• LogP: 1.84660
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.068079557
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(CCC(=O)O2)C=C1

Technology Process of 7-Methylchroman-2-one

There total 1 articles about 7-Methylchroman-2-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1,1,1-trifluoro-4-(4-methylphenyl)butan-2-one (288310-94-1) → 3,4-dihydro-6-methyl-2H-1-benzopyran-2-one (92-47-7) + 7-methyl-3,4-dihydrocoumarin (20921-01-1)

Guidance literature:

1,1,1-trifluoro-4-(4-methylphenyl)butan-2-one; With Oxone; edetate disodium; sodium hydrogencarbonate; In acetonitrile; at 20 ℃; for 2h;

With potassium hydroxide; Heating;

With toluene-4-sulfonic acid; In benzene; for 2h; Further stages. Title compound not separated from byproducts.; Heating;

DOI:10.1021/jo000458j

Reference yield:

pyrrolidine (123-75-1) + 7-methyl-3,4-dihydrocoumarin (20921-01-1) → C14H19NO2

Guidance literature:

With triethylamine; at 90 ℃; for 16h; Inert atmosphere;

DOI:10.1016/j.tet.2015.06.027

Reference yield:

(2R,5S)-1-(4-fluoro-benzyl)-2,5-dimethyl-piperazine (478833-41-9) + 7-methyl-3,4-dihydrocoumarin (20921-01-1) → 1-[4-(4-Fluoro-Benzyl)-(2R,5S)-2.5-Dimethyl-Piperazin-1-Yl]-3-(2-Hydroxy-4-Methyl-Phenyl)-Propan-1-One

Guidance literature:

In toluene;

upstream raw materials:

1,1,1-trifluoro-4-(4-methylphenyl)butan-2-one

Downstream raw materials:

ethyl 3-(2-hydroxy-4-methylphenyl)propanoate

ethyl 5-(2-hydroxy-4-methylphenyl)-2-pentenoate

(E)-5-(1-Acetoxy-4-methyl-6-oxo-cyclohexa-2,4-dienyl)-pent-2-enoic acid ethyl ester

C₁₆H₁₄O₄S

Refernces